Crystallography Open Database

Information card for entry 4027023

Preview

Coordinates	4027023.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H19 Ag N O6
Calculated formula	C13 H20 Ag N O6
SMILES	[Ag]C[C@@H]1CC(C(=O)OC)(C(=O)OC)[C@H]([C@@H]1N(=O)=O)C(C)C.[Ag]C[C@H]1CC([C@@H]([C@H]1N(=O)=O)C(C)C)(C(=O)OC)C(=O)OC
Title of publication	Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds
Authors of publication	Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto
Journal of publication	Journal of Organic Chemistry
Year of publication	2012
Journal volume	77
Pages of publication	2236 - 2245
a	10.888 ± 0.002 Å
b	11.294 ± 0.002 Å
c	15.876 ± 0.003 Å
α	78.3 ± 0.03°
β	79.01 ± 0.03°
γ	61.71 ± 0.03°
Cell volume	1673.2 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0894
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.1879
Weighted residual factors for all reflections included in the refinement	0.213
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178449 (current)	2016-03-21	cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/70.	4027023.cif
81091	2013-04-14	cif/ Adding structures of 4027023 via cif-deposit CGI script.	4027023.cif